SCHEMBL5843591

SCHEMBL5843591

CC(C)(N)OC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.55
TSHR P16473 5/20 0.55
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 2/20 0.55
LMNA P02545 2/20 0.52
F2 P00734 1/20 0.52
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
TNF P01375 1/20 0.46
KLF5 Q13887 1/20 0.46
NOD1 Q9Y239 1/20 0.46
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrazine SCHEMBL10799085 0.83 TSHR (0.60) TDP1TSHRALDH1A1HSD17B10LMNA
Hydrogen Peroxide SCHEMBL28474133 0.83 TDP1 (0.64) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL29199324 0.83 TDP1 (0.64) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL260960 0.83 TDP1 (0.64) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL1786261 0.83 TSHR (0.59) TDP1TSHRALDH1A1HSD17B10LMNA
Hydrogen Peroxide SCHEMBL28425777 0.83 TDP1 (0.64) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL1953844 0.83 TSHR (0.59) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL28117943 0.82 TDP1 (0.50) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL19046555 0.82 CYP2D6 (0.59) TDP1TSHRALDH1A1HSD17B10LMNA
Hydrochloric Acid SCHEMBL23276979 0.81 TDP1 (0.62) TDP1TSHRALDH1A1HSD17B10LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117303784-A Composite alcohol amine ester type concrete glue reducing agent and preparation method and application thereof 武汉源锦建材科技有限公司 2023-12-29 CN disclosed
CN-107108534-A Probes for Imaging Huntingtin CHDI基金会股份有限公司 2017-08-29 CN disclosed
US-6984716-B2 Phosphorus-containing compound CHANG CHUN PLASTICS CO., LTD. (TW) 2006-01-10 US disclosed
US-20040077825-A1 Phosphorus-containing compound CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-22 US disclosed